2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate

C16H20O5 — CID 153256212

IUPAC2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](OC)C[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C16H20O5/c1-19-12-8-13(15(17)20-2)14(9-12)16(18)21-10-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyWUHXNFLSHHSPLD-MGPQQGTHSA-N
MW292.33 g/mol
LogP1.94
Rot. Bonds5

About 2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate

2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate (PubChem CID 153256212) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate
PubChem CID153256212
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](OC)C[C@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C16H20O5/c1-19-12-8-13(15(17)20-2)14(9-12)16(18)21-10-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyWUHXNFLSHHSPLD-MGPQQGTHSA-N
XLogP1.94
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-O-benzyl 1-O-methyl (1S,2R,4R)-4-(methoxymethoxy)cyclopentane-1,2-dicarboxylate
CID 135013218
benzyl 3-methoxycyclopentane-1-carboxylate
CID 175265399
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
CID 70818190
benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723
benzyl 2-hydroxycyclobutane-1-carboxylate
CID 174627275
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate
CID 154728884
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179
cis-(1R,2S)-2-phenylmethoxycarbonylcyclobutane-1-carboxylate
CID 71378393
dibenzyl bicyclo[3.1.0]hexane-2,6-dicarboxylate
CID 141428986
benzyl 2-(1,1-difluoroethyl)cyclopropane-1-carboxylate
CID 175348269
3-O-benzyl 2-O-methyl (2S,3S)-5-formyloxolane-2,3-dicarboxylate
CID 58431276
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000

Frequently Asked Questions

What is the IUPAC name of 2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate?
The IUPAC name of 2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate (CID 153256212) is 2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate.
What is the SMILES notation for 2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate?
The canonical SMILES for 2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate is COC(=O)[C@@H]1C[C@@H](OC)C[C@H]1C(=O)OCc1ccccc1.
What is the InChIKey of 2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate?
The InChIKey is WUHXNFLSHHSPLD-MGPQQGTHSA-N. The full InChI is InChI=1S/C16H20O5/c1-19-12-8-13(15(17)20-2)14(9-12)16(18)21-10-11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13-,14-/m1/s1.
What are the key properties of 2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate?
2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate has a molecular weight of 292.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 153256212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).